First-principles study on the electronic structures and optical properties of CsVO3

被引：4
|
作者：
Luo, Jiaolian [1 ,2 ]
Yang, Anqi [1 ,3 ]
Wang, Xiaohui [1 ,3 ]
Liu, Keyin [1 ,2 ]
机构：
[1] Special & Key Lab Guizhou Prov Higher Educ Green, Guiyang, Guizhou, Peoples R China
[2] Guizhou Minzu Univ, Sch Mat Sci & Engn, Guiyang, Guizhou, Peoples R China
[3] Guizhou Univ, Coll Big Data & Informat Engn, Guiyang, Guizhou, Peoples R China
来源：
FERROELECTRICS | 2020年 / 564卷 / 01期
关键词：
CsVO3; electronic structure; optical properties; first principle; PHOTOLUMINESCENCE; LUMINESCENT; CS; RB;
D O I：
10.1080/00150193.2020.1761701
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
In this paper, a CSVO(3)phosphor for white LED has been successfully prepared by solid-state synthesis and has been characterized. The CsVO(3)was simulated by Materials Studio software based on density functional theory (DFT). The results show that the CsVO(3)sample has a direct optical transition with band gap energy of 3.143 eV. Under ultraviolet excitation in the range of 300-390 nm, the emission spectrum of CsVO(3)phosphors ranges from 400 to 700 nm, and its peak emission spectrum is near 492 nm, and shows yellow color fluorescence emission. These results indicate that CsVO(3)phosphor can be used as a promising white phosphor for white LED.
引用
收藏
页码：52 / 58
页数：7
相关论文
共 50 条
  • [1] Pressure dependence of the electronic, optical, thermoelectric, thermodynamic properties of CsVO3: first-principles study
    Saad Essaoud, S.
    Bouhemadou, A.
    Maabed, S.
    Bin-Omran, S.
    Khenata, R.
    PHILOSOPHICAL MAGAZINE, 2022, 102 (15) : 1522 - 1546
  • [2] Preparation, optical properties and first principle calculation of CsVO3
    Luo, Jiaolian
    Yang, Anqi
    Xie, Zhenyu
    Huang, Jing
    Zuo, Xiaoling
    JOURNAL OF LUMINESCENCE, 2021, 229
  • [3] First-principles study on the electronic structures and optical properties of RbVO3
    Luo, Jiaolian
    Wang, Xiaohui
    Yang, Anqi
    Zhu, Yunfei
    JOURNAL OF LUMINESCENCE, 2020, 218
  • [4] First-principles study on electronic structure and optical properties of TiNx
    Huang, Tao
    Zhou, Bai-Yang
    Zhang, Wei
    Wu, Bo
    Gongneng Cailiao/Journal of Functional Materials, 2013, 44 (10): : 1515 - 1519
  • [5] First-principles study on the electronic and optical properties of BiFeO3
    Wang, Hai
    Zheng, Yue
    Cai, Meng-Qiu
    Huang, Haitao
    Chan, Helen L. W.
    SOLID STATE COMMUNICATIONS, 2009, 149 (15-16) : 641 - 644
  • [6] Electronic and optical properties of GaS: A first-principles study
    Erdinc, Bahattin
    Akkus, Harun
    Goksen, Kadir
    GAZI UNIVERSITY JOURNAL OF SCIENCE, 2010, 23 (04): : 413 - 422
  • [7] First-principles study on the electronic structure and optical properties of RDX
    Cheng He-Ping
    Dan Jia-Kun
    Huang Zhi-Meng
    Peng Hui
    Chen Guang-Hua
    ACTA PHYSICA SINICA, 2013, 62 (16)
  • [8] Electronic Structure and Optical Properties of YAlN: A First-Principles Study
    Xie, Ying
    Cai, Yao
    Liu, Yan
    Zhao, Yan
    Guo, Shishang
    Sun, Chengliang
    Liu, Sheng
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2020, 257 (05):
  • [9] First-principles study of the electronic, optical and bonding properties in dolomite
    Hossain, F. M.
    Dlugogorski, B. Z.
    Kennedy, E. M.
    Belova, I. V.
    Murch, G. E.
    COMPUTATIONAL MATERIALS SCIENCE, 2011, 50 (03) : 1037 - 1042
  • [10] First-principles study of the electronic and optical properties of ZnO nanowires
    张富春
    张志勇
    张威虎
    阎军峰
    贠江妮
    Chinese Physics B, 2009, 18 (06) : 2508 - 2513
12345